CID 155819969

6-bromo-n-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CC(C)CNC1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3
InChIKey
MDTOFMHNYAVKAT-UHFFFAOYSA-N
Compound name
6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 159.0
[M+Na]+ 292.03075 169.2
[M-H]- 268.03425 166.4
[M+NH4]+ 287.07535 180.5
[M+K]+ 308.00469 159.0
[M+H-H2O]+ 252.03879 158.8
[M+HCOO]- 314.03973 178.4
[M+CH3COO]- 328.05538 197.5
[M+Na-2H]- 290.01620 164.2
[M]+ 269.04098 177.8
[M]- 269.04208 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.